| SpectraBase Compound ID | 78Q0D66rfTF |
|---|---|
| InChI | InChI=1S/C9H9ClN6O/c10-4-1-2-6(5(11)3-4)16-8(12)7(9(13)17)14-15-16/h1-3H,11-12H2,(H2,13,17) |
| InChIKey | SYHPNDSLUVYIBE-UHFFFAOYSA-N |
| Mol Weight | 252.66 g/mol |
| Molecular Formula | C9H9ClN6O |
| Exact Mass | 252.052637 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2hV4lvPBXnX |
|---|---|
| Name | 5-Amino-1-(2-amino-4-chloro-phenyl)triazole-4-carboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.052636633 u |
| Formula | C9H9ClN6O |
| InChI | InChI=1S/C9H9ClN6O/c10-4-1-2-6(5(11)3-4)16-8(12)7(9(13)17)14-15-16/h1-3H,11-12H2,(H2,13,17) |
| InChIKey | SYHPNDSLUVYIBE-UHFFFAOYSA-N |
| SMILES | C=1(N(N=NC1C(=O)N)C1=C(C=C(C=C1)Cl)N)N |